3,5-bis(chloranyl)-4-[5-(2-chlorophenyl)-7-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-oxidanylidene-3,4-dihydroquinazolin-1-yl]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-4-[5-(2-chlorophenyl)-7-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-oxidanylidene-3,4-dihydroquinazolin-1-yl]benzoic acid Openeye Name: 3,5-dichloro-4-[5-(2-chlorophenyl)-7-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-oxo-3,4-dihydroquinazolin-1-yl]benzoic acid CAS Name: 3,5-dichloro-4-[5-(2-chlorophenyl)-7-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-oxo-3,4-dihydroquinazolin-1-yl]benzoic acid IUPAC Name: 3,5-dichloro-4-[5-(2-chlorophenyl)-7-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-oxo-3,4-dihydroquinazolin-1-yl]benzoic acid Traditional Name: 3,5-dichloro-4-[5-(2-chlorophenyl)-7-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-keto-3,4-dihydroquinazolin-1-yl]benzoic acid Formula: C27H23Cl3N4O3 MolecularWeight: 557.85552

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CNC1CN2CC3=CC4=C(CNC(=O)N4C5=C(C=C(C=C5Cl)C(=O)O)Cl)C(=C3)C6=CC=CC=C6Cl

Isomeric SMILES

C1C2CNC1CN2CC3=CC4=C(CNC(=O)N4C5=C(C=C(C=C5Cl)C(=O)O)Cl)C(=C3)C6=CC=CC=C6Cl

InChI

InChI=1S/C27H23Cl3N4O3/c28-21-4-2-1-3-18(21)19-5-14(12-33-13-16-9-17(33)10-31-16)6-24-20(19)11-32-27(37)34(24)25-22(29)7-15(26(35)36)8-23(25)30/h1-8,16-17,31H,9-13H2,(H,32,37)(H,35,36)